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ABCluster has implemented xTB as an energy evaluation engine #63

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ZhangJunQCC opened this issue Nov 13, 2021 · 0 comments
Open

ABCluster has implemented xTB as an energy evaluation engine #63

ZhangJunQCC opened this issue Nov 13, 2021 · 0 comments
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xtb Related to the extended tight binding program package

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@ZhangJunQCC
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The global optimization program for chemical clusters, ABCluster (http://www.zhjun-sci.com/software-abcluster-download.php), has xTB interfaces implemented since version 1.5 (2017). I would appreciate it if you could have this mentioned in https://xtb-docs.readthedocs.io/en/latest/contents.html .
@awvwgk awvwgk added the xtb Related to the extended tight binding program package label Nov 13, 2021
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@ZhangJunQCC @awvwgk